2-[2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethyl-methylamino]acetic acid

C18H19Cl2NO3 — CID 138600610

IUPAC2-[2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethyl-methylamino]acetic acid
SMILESCN(CCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)CC(=O)O
InChIInChI=1S/C18H19Cl2NO3/c1-21(11-18(22)23)9-8-13-2-5-15(6-3-13)24-12-14-4-7-16(19)17(20)10-14/h2-7,10H,8-9,11-12H2,1H3,(H,22,23)
InChIKeyKOMHNDKPYUYWNY-UHFFFAOYSA-N
MW368.26 g/mol
LogP4.13
Rot. Bonds8

About 2-[2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethyl-methylamino]acetic acid

2-[2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethyl-methylamino]acetic acid (PubChem CID 138600610) has the molecular formula C18H19Cl2NO3 and a molecular weight of 368.26 g/mol. Its IUPAC name is 2-[2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethyl-methylamino]acetic acid
PubChem CID138600610
Molecular FormulaC18H19Cl2NO3
Molecular Weight368.26 g/mol
Exact Mass367.07
IUPAC Name2-[2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethyl-methylamino]acetic acid
SMILESCN(CCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)CC(=O)O
InChIInChI=1S/C18H19Cl2NO3/c1-21(11-18(22)23)9-8-13-2-5-15(6-3-13)24-12-14-4-7-16(19)17(20)10-14/h2-7,10H,8-9,11-12H2,1H3,(H,22,23)
InChIKeyKOMHNDKPYUYWNY-UHFFFAOYSA-N
XLogP4.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethyl-methylamino]acetic acid
CID 138600594
3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 82051730
2-[2-[4-[(3-chlorophenyl)methoxy]phenyl]ethyl-methylamino]acetic acid;ethane;methyl acetate
CID 144797645
4-[(3,4-dichlorophenyl)methoxy]benzoic acid
CID 2764449
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
CID 115495361
4-[[4-(2-bromoethyl)phenoxy]methyl]-1,2-dichlorobenzene
CID 174759962
1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280207
[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493
methyl (2S)-2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoate
CID 163934815
(2R)-2-amino-4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-methylbutan-1-ol
CID 134817265
[(2S)-4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-1-hydroxy-2-methylbutan-2-yl]azanium
CID 138319054
2-chloro-5-[(4-methylphenoxy)methyl]benzoic acid
CID 117221957

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethyl-methylamino]acetic acid?
The IUPAC name of 2-[2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethyl-methylamino]acetic acid (CID 138600610) is 2-[2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethyl-methylamino]acetic acid.
What is the SMILES notation for 2-[2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethyl-methylamino]acetic acid?
The canonical SMILES for 2-[2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethyl-methylamino]acetic acid is CN(CCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)CC(=O)O.
What is the InChIKey of 2-[2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethyl-methylamino]acetic acid?
The InChIKey is KOMHNDKPYUYWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO3/c1-21(11-18(22)23)9-8-13-2-5-15(6-3-13)24-12-14-4-7-16(19)17(20)10-14/h2-7,10H,8-9,11-12H2,1H3,(H,22,23).
What are the key properties of 2-[2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethyl-methylamino]acetic acid?
2-[2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethyl-methylamino]acetic acid has a molecular weight of 368.26 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethyl-methylamino]acetic acid is sourced from PubChem (CID 138600610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).